- InChI
- InChI=1S/C23H38O4/c1-2-3-4-5-6-7-8-9-10-11-14-20-26-22(24)18-15-19-23(25)27-21-16-12-13-17-21/h21H,2-10,12-13,15-20H2,1H3
- InChI Key
- KDCXAHMSJQDQCM-UHFFFAOYSA-N
- Formula
- C23H38O4
- SMILES
-
CCCCCCCCCCC#CCOC(=O)CCCC(=O)OC
1CCCC1 - Molecular Weight1
- 378.55
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfG° | -85.71 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -674.87 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 57.96 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 87.51 | kJ/mol | Joback Calculated Property |
| log10WS | -6.98 | Crippen Calculated Property | |
| logPoct/wat | 5.720 | Crippen Calculated Property | |
| McVol | 330.350 | ml/mol | McGowan Calculated Property |
| Pc | 1115.57 | kPa | Joback Calculated Property |
| Inp | [2768.00; 2768.00] |
|
|
| Inp | 2768.00 | NIST | |
| Inp | 2768.00 | NIST | |
| Tboil | 902.50 | K | Joback Calculated Property |
| Tc | 1109.31 | K | Joback Calculated Property |
| Tfus | 610.29 | K | Joback Calculated Property |
| Vc | 1.274 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1094.76; 1185.12] | J/mol×K | [902.50; 1109.31] |
|
| Cp,gas | 1094.76 | J/mol×K | 902.50 | Joback Calculated Property |
| Cp,gas | 1113.09 | J/mol×K | 936.97 | Joback Calculated Property |
| Cp,gas | 1130.07 | J/mol×K | 971.44 | Joback Calculated Property |
| Cp,gas | 1145.72 | J/mol×K | 1005.91 | Joback Calculated Property |
| Cp,gas | 1160.09 | J/mol×K | 1040.37 | Joback Calculated Property |
| Cp,gas | 1173.21 | J/mol×K | 1074.84 | Joback Calculated Property |
| Cp,gas | 1185.12 | J/mol×K | 1109.31 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, cyclopentyl tridec-2-yn-1-yl ester.
Sources
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